4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one

C11H7F3N2O2 — CID 167474416

IUPAC4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one
SMILESCc1nc(O)c(-c2c(F)cc(F)cc2F)c(=O)[nH]1
InChIInChI=1S/C11H7F3N2O2/c1-4-15-10(17)9(11(18)16-4)8-6(13)2-5(12)3-7(8)14/h2-3H,1H3,(H2,15,16,17,18)
InChIKeyZNLQEOIVDQGOPE-UHFFFAOYSA-N
MW256.18 g/mol
LogP1.87
Rot. Bonds1

About 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one

4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one (PubChem CID 167474416) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one
PubChem CID167474416
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC Name4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one
SMILESCc1nc(O)c(-c2c(F)cc(F)cc2F)c(=O)[nH]1
InChIInChI=1S/C11H7F3N2O2/c1-4-15-10(17)9(11(18)16-4)8-6(13)2-5(12)3-7(8)14/h2-3H,1H3,(H2,15,16,17,18)
InChIKeyZNLQEOIVDQGOPE-UHFFFAOYSA-N
XLogP1.87
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one (CID 167474416) is 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one is Cc1nc(O)c(-c2c(F)cc(F)cc2F)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is ZNLQEOIVDQGOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c1-4-15-10(17)9(11(18)16-4)8-6(13)2-5(12)3-7(8)14/h2-3H,1H3,(H2,15,16,17,18).
What are the key properties of 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one?
4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 256.18 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 167474416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).